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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3112 0.5909 0.0338   0.6264 0.2318 0.0338
C2 -0.3112 -0.5909 0.0338   -0.6264 -0.2318 0.0338
N3 -0.3112 1.8529 -0.1108   1.7968 -0.5492 -0.1108
N4 0.3112 -1.8529 -0.1108   -1.7968 0.5492 -0.1108
H5 1.3989 0.6374 0.0373   0.8137 1.3043 0.0373
H6 -1.3989 -0.6374 0.0373   -0.8137 -1.3043 0.0373
H7 -1.3208 1.7891 -0.0412   1.6024 -1.5420 -0.0412
H8 1.3208 -1.7891 -0.0412   -1.6024 1.5420 -0.0412
H9 0.0162 2.5233 0.5765   2.5040 -0.3117 0.5765
H10 -0.0162 -2.5233 0.5765   -2.5040 0.3117 0.5765
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3357 1.4145 2.4481 1.0888 2.1055 2.0259 2.5864 2.0287 3.1781
C2 1.3357 2.4481 1.4145 2.1055 1.0888 2.5864 2.0259 3.1781 2.0287
N3 1.4145 2.4481 3.7578 2.1033 2.7215 1.0140 3.9915 1.0144 4.4397
N4 2.4481 1.4145 3.7578 2.7215 2.1033 3.9915 1.0140 4.4397 1.0144
H5 1.0888 2.1055 2.1033 2.7215 3.0746 2.9546 2.4290 2.3999 3.5048
H6 2.1055 1.0888 2.7215 2.1033 3.0746 2.4290 2.9546 3.5048 2.3999
H7 2.0259 2.5864 1.0140 3.9915 2.9546 2.4290 4.4476 1.6457 4.5475
H8 2.5864 2.0259 3.9915 1.0140 2.4290 2.9546 4.4476 4.5475 1.6457
H9 2.0287 3.1781 1.0144 4.4397 2.3999 3.5048 1.6457 4.5475 5.0467
H10 3.1781 2.0287 4.4397 1.0144 3.5048 2.3999 4.5475 1.6457 5.0467
Maximum atom distance is 5.0467Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.769 C2 C1 N3 125.769
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.210 C1 N3 H7 112.026
C1 N3 H9 112.230 C2 C1 H5 120.210
C2 N4 H8 112.026 C2 N4 H10 112.230
N3 C1 H5 113.693 N4 C2 H6 113.693
H7 N3 H9 108.451 H8 N4 H10 108.451

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.